CID 2737779

2-chloro-6-phenoxybenzonitrile

Structural Information

Molecular Formula
C13H8ClNO
SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C#N
InChI
InChI=1S/C13H8ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChIKey
XQEBKWUAXCHXRY-UHFFFAOYSA-N
Compound name
2-chloro-6-phenoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

229.02943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03671 150.7
[M+Na]+ 252.01865 163.0
[M-H]- 228.02215 156.4
[M+NH4]+ 247.06325 167.7
[M+K]+ 267.99259 155.9
[M+H-H2O]+ 212.02669 138.2
[M+HCOO]- 274.02763 167.7
[M+CH3COO]- 288.04328 162.8
[M+Na-2H]- 250.00410 156.5
[M]+ 229.02888 148.3
[M]- 229.02998 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe